methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate

C16H12N2O3S — CID 155343281

IUPACmethyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3ccccn3)ccc2s1
InChIInChI=1S/C16H12N2O3S/c1-21-16(20)14-9-10-8-11(5-6-13(10)22-14)18-15(19)12-4-2-3-7-17-12/h2-9H,1H3,(H,18,19)
InChIKeySYUUKAQDNNRHNZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.34
Rot. Bonds3

About methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate

methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate (PubChem CID 155343281) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate
PubChem CID155343281
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Namemethyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3ccccn3)ccc2s1
InChIInChI=1S/C16H12N2O3S/c1-21-16(20)14-9-10-8-11(5-6-13(10)22-14)18-15(19)12-4-2-3-7-17-12/h2-9H,1H3,(H,18,19)
InChIKeySYUUKAQDNNRHNZ-UHFFFAOYSA-N
XLogP3.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
methyl 3-{2-[2-(4-fluoroanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
CID 3845873
Ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
CID 4713458
5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide
CID 127029799
Methyl 3-amino-6-[2-(3-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031930
methyl 3-[2-(2-anilino-2-oxoacetyl)-1H-pyrrol-1-yl]-1-benzothiophene-2-carboxylate
CID 3776864
methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
CID 4314835
Methyl 3-amino-6-(3-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905129
Methyl benzothieno[2,3-c]pyridine-3-carboxylate
CID 13851858
2-Benzo[b]thiophen-2-yl-nicotinic acid methylester
CID 46228238
US9868726, Example 11
CID 121267854
US9868726, Example 15
CID 121267861

Frequently Asked Questions

What is the IUPAC name of methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate (CID 155343281) is methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate is COC(=O)c1cc2cc(NC(=O)c3ccccn3)ccc2s1.
What is the InChIKey of methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate?
The InChIKey is SYUUKAQDNNRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-21-16(20)14-9-10-8-11(5-6-13(10)22-14)18-15(19)12-4-2-3-7-17-12/h2-9H,1H3,(H,18,19).
What are the key properties of methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate?
methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 155343281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).